HRID87536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID25134

Boron tribromide

BBr3

结构：COc1ccc(-n2cccn2)c(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c1

HCID58541937

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)n1c(-c2cc(O)ccc2-n2cccn2)nc2cc(-c3cnc(N)nc3)ccc21

HCID58541878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46f2edc8f93c48bdb4664af40f83d68b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B:34]([Br:35])([Br:36])[Br:37].[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[c:6](-[c:21]2[c:22](-[n:29]3[n:30][cH:31][cH:32][cH:33]3)[cH:23][cH:24][c:25]([O:27][CH3:28])[cH:26]2)[n:7][c:8]2[c:9]1[cH:10][cH:11][c:12](-[c:14]1[cH:15][n:16][c:17]([NH2:20])[n:18][cH:19]1)[cH:13]2.[Cl:43][CH2:44][Cl:45].[Na+:42].[O-:38][C:39]([OH:40])=[O:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[c:6](-[c:21]2[c:22](-[n:29]3[n:30][cH:31][cH:32][cH:33]3)[cH:23][cH:24][c:25]([OH:27])[cH:26]2)[n:7][c:8]2[c:9]1[cH:10][cH:11][c:12](-[c:14]1[cH:15][n:16][c:17]([NH2:20])[n:18][cH:19]1)[cH:13]2